SCHEMBL9764551

SCHEMBL9764551

CN(C)C(=O)c1ccc(C=CCOCCCCCCN(Cc2ccccc2)CC(O)c2cc(Cl)c(N)c(Cl)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.37
MAOB P27338 5/20 0.37
APP P05067 4/20 0.37
KDM4E B2RXH2 1/20 0.34
BCHE P06276 6/20 0.34
ACHE P22303 6/20 0.34
PDK1 Q15118 1/20 0.34
NR1H3 Q13133 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9764546 1.00 MAOA (0.37) MAOAMAOBAPPKDM4EBCHE
SCHEMBL9764323 0.88 MAOB (0.40) MAOAMAOBAPPBCHEACHE
SCHEMBL9764330 0.88 MAOB (0.40) MAOAMAOBAPPBCHEACHE
SCHEMBL9764430 0.85 KCNH2 (0.44)
SCHEMBL9764436 0.85 KCNH2 (0.44)
SCHEMBL9764504 0.83 SLC2A1 (0.33) MAOAMAOBAPPKDM4ENR1H3
SCHEMBL9764500 0.83 SLC2A1 (0.33) MAOAMAOBAPPKDM4ENR1H3
SCHEMBL10417921 0.81 SLC2A1 (0.37) MAOAMAOBAPPKDM4ENR1H3
SCHEMBL10417920 0.81 SLC2A1 (0.37) MAOAMAOBAPPKDM4ENR1H3
SCHEMBL10390476 0.79 BCHE (0.46) MAOAMAOBBCHEACHENR1H3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5006556-A Dichloroaniline derivatives for the therapy or prophylaxysis of a disease associated with reversible airway obstruction GLAXO GROUP LIMITED (GB) 1991-04-09 US disclosed
US-4943591-A TREATMENT OF ASTHMA AND BRONCHITIS GLAXO GROUP LIMITED (GB) 1990-07-24 US disclosed